Identification

PhytoHub ID
PHUB002611
Name
8,9-dihydroxy-p-mentha-1-en-7-oic acid glucuronide
Systematic Name
8,9 dihydroxy-p-menth-1-en-7-oic acid glucuronide
Synonyms
  • 8-hydroxy-p-menth-1-en-7-oic acid-9-glucuronide
CAS Number
Not Available
Average Mass
376.358
Monoisotopic Mass
376.136946973
Chemical Formula
C16H24O10
IUPAC Name
5-[2-(4-carboxycyclohex-3-en-1-yl)-2-hydroxypropoxy]-3,4,6-trihydroxyoxane-2-carboxylic acid
InChI Key
YZZZVFBCHFYOKY-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C16H26O10/c1-16(6-17,8-4-2-7(3-5-8)13(20)21)26-12-10(19)9(18)11(14(22)23)25-15(12)24/h7-12,15,17-19,24H,2-6H2,1H3,(H,20,21)(H,22,23)
SMILES
CC(O)(COC1C(O)OC(C(O)C1O)C(O)=O)C1CCC(=CC1)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.41e+01 g/l
LogS (ALOGPS)
-1.43
LogP (ALOGPS)
-0.72
Hydrogen Acceptors
10
Hydrogen Donors
6
Rotatable Bond Count
6
Polar Surface Area
173.98
Refractivity
84.0035
Polarizability
36.71758682317463
Formal Charge
Not Available
Physiological Charge
Not Available
pKa (strongest basic)
-3.2297596906476698
pKa (strongest acidic)
3.28389065388416
Number of Rings
Not Available
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Terpenoid metabolites
Class
Monoterpenoid metabolites
Sub-class
Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
LimoneneTerpenoidsMonoterpenoidsNot AvailableShow Food Phytochemical

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Limonene 8,9-dihydroxy-p-mentha-1-en-7-oic acid glucuronidemouse ratNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H24O10376.136946973 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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